SCHEMBL409683

SCHEMBL409683

Cc1cccc(-c2nn3ccccc3c2-c2ccnc3cc(C(=O)NCCCN4CCOCC4)ccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.48
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TGFBR2 P37173 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
SMYD2 Q9NRG4 2/20 0.42
SLC2A1 P11166 1/20 0.42
HPGDS O60760 2/20 0.42
GAK O14976 1/20 0.42
RIPK2 O43353 1/20 0.42
MAP4K4 O95819 1/20 0.42
KDR P35968 1/20 0.42
ACVR1B P36896 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL409430 0.96 TGFBR1 (0.49) TGFBR1TGFBR2L3MBTL1HPGDSGAK
SCHEMBL414211 0.94 TGFBR1 (0.53) TGFBR1TGFBR2KMT2ASMYD2GAK
SCHEMBL412977 0.93 TGFBR1 (0.51) TGFBR1TGFBR2SMYD2GAKRIPK2
SCHEMBL413710 0.88 TGFBR1 (0.49) TGFBR1TGFBR2L3MBTL1TDP1KDM4E
SCHEMBL412491 0.87 TGFBR1 (0.57) TGFBR1HTTHSD17B10TGFBR2KDM4E
SCHEMBL414681 0.86 TGFBR1 (0.51) TGFBR1TGFBR2TDP1KDM4EKMT2A
SCHEMBL412295 0.86 NAMPT (0.50)
SCHEMBL451347 0.85 TGFBR1 (0.67) TGFBR1TGFBR2GAKRIPK2MAP4K4
SCHEMBL414592 0.85 TGFBR1 (0.47) TGFBR1TGFBR2L3MBTL1KMT2AGAK
SCHEMBL412319 0.84 TGFBR1 (0.61) TGFBR1TGFBR2GAKRIPK2MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021519-A1 EFFICIENT INDUCTION OF PLURIPOTENT STEM CELLS USING SMALL MOLECULE COMPOUNDS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 US disclosed